4-{[2-(2-oxoimidazolidin-1-yl)ethyl]sulfamoyl}-N-propylbenzamide

• ChemBase ID: 535993
• Molecular Formular: C15H22N4O4S
• Molecular Mass: 354.42458
• Monoisotopic Mass: 354.1361762
• SMILES: S(=O)(=O)(c1ccc(C(=O)NCCC)cc1)NCCN1C(=O)NCC1
• Canonical SMILES: CCCNC(=O)c1ccc(cc1)S(=O)(=O)NCCN1CCNC1=O
• InChI: InChI=1S/C15H22N4O4S/c1-2-7-16-14(20)12-3-5-13(6-4-12)24(22,23)18-9-11-19-10-8-17-15(19)21/h3-6,18H,2,7-11H2,1H3,(H,16,20)(H,17,21)
• InChIKey: BJBFMZGCZKIAMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(2-oxoimidazolidin-1-yl)ethyl]sulfamoyl}-N-propylbenzamide
• IUPAC Traditional name: 4-{[2-(2-oxoimidazolidin-1-yl)ethyl]sulfamoyl}-N-propylbenzamide
• Synonyms: 4-({[2-(2-oxo-1-imidazolidinyl)ethyl]amino}sulfonyl)-N-propylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.894771
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.27927184
• LogD (pH = 7.4): -0.28048548
• Log P: -0.2792562
• Molar Refractivity: 90.255 cm^3
• Polarizability: 34.883636 Å^3
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.8
• LOG S: -2.47
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 7